trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane

C13H12F18O3Si — CID 177311634

IUPACtrimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C13H12F18O3Si/c1-32-35(33-2,34-3)13(30,31)12(28,29)11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)5(14)4-6(15,16)17/h5H,4H2,1-3H3
InChIKeyQBPBKXBYLUZMJH-UHFFFAOYSA-N
MW586.29 g/mol
LogP6.14
Rot. Bonds12

About trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane

trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane (PubChem CID 177311634) has the molecular formula C13H12F18O3Si and a molecular weight of 586.29 g/mol. Its IUPAC name is trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane.

Molecular Properties

Compound Nametrimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
PubChem CID177311634
Molecular FormulaC13H12F18O3Si
Molecular Weight586.29 g/mol
Exact Mass586.03
IUPAC Nametrimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
SMILESCO[Si](OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C13H12F18O3Si/c1-32-35(33-2,34-3)13(30,31)12(28,29)11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)5(14)4-6(15,16)17/h5H,4H2,1-3H3
InChIKeyQBPBKXBYLUZMJH-UHFFFAOYSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.29
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl(trimethoxy)silane
CID 54245041
dimethoxy(1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooctyl)silane
CID 175373175
CID 167434962
CID 167434962
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
CID 170562709
CID 170562709
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
CID 141204802
2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
CID 175336561
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
CID 156901116
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecane-1-sulfonate
CID 141492156
dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane
CID 141130012
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003

Frequently Asked Questions

What is the IUPAC name of trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane?
The IUPAC name of trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane (CID 177311634) is trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane.
What is the SMILES notation for trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane?
The canonical SMILES for trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane is CO[Si](OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane?
The InChIKey is QBPBKXBYLUZMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F18O3Si/c1-32-35(33-2,34-3)13(30,31)12(28,29)11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)5(14)4-6(15,16)17/h5H,4H2,1-3H3.
What are the key properties of trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane?
trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane has a molecular weight of 586.29 g/mol, XLogP of 6.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane is sourced from PubChem (CID 177311634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).